#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kld n LEU 2 N 0.00 2.59 -4.91 0.00 4.77 -1.26 -4.91 117.00 113.28 1kld n LEU 2 Ca 0.00 -4.00 -0.23 0.00 -0.03 0.00 0.00 56.01 51.76 1kld n LEU 2 Cb 0.00 0.16 -0.01 0.00 -2.33 0.00 0.00 43.42 41.24 1kld n LEU 2 CO 0.00 1.65 0.07 1.51 -1.33 0.00 0.00 177.39 179.29 1kld s ASP 3 N -3.43 4.88 0.00 -1.43 1.47 -1.26 -1.84 116.67 115.06 1kld s ASP 3 Ca 0.34 -0.97 0.21 0.00 1.18 0.00 0.00 52.55 53.31 1kld s ASP 3 Cb 0.41 -0.04 1.22 0.00 -0.34 0.00 0.00 42.92 44.17 1kld s ASP 3 CO -0.03 -0.94 1.68 0.35 0.68 0.00 0.00 175.17 176.92 1kld n THR 4 N -1.74 0.00 -0.06 2.11 -2.24 -1.25 -2.41 114.28 108.70 1kld n THR 4 Ca 0.03 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.59 1kld n THR 4 Cb 0.63 -0.47 -0.13 0.00 -2.10 0.00 0.00 70.33 68.26 1kld n THR 4 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1kld n ASN 5 N -0.89 2.02 0.13 3.42 4.13 -1.26 -2.83 115.26 119.98 1kld n ASN 5 Ca 0.15 0.23 0.01 0.00 1.68 0.00 0.00 54.58 56.66 1kld n ASN 5 Cb 0.07 -0.83 0.01 0.00 -1.54 0.00 0.00 39.78 37.49 1kld n ASN 5 CO 0.00 0.00 0.00 0.22 0.28 0.00 0.00 177.26 177.76 1kld h TYR 6 N -0.34 0.00 0.00 3.10 3.20 -1.92 -3.21 116.97 117.80 1kld h TYR 6 Ca -0.45 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.37 1kld h TYR 6 Cb 1.77 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 40.03 1kld h TYR 6 CO 0.06 0.57 -0.69 0.00 -1.64 0.00 0.00 178.16 176.46 1kld n PHE 8 N -2.93 0.14 0.00 0.00 3.01 -1.13 -3.72 117.46 112.84 1kld n PHE 8 Ca -0.00 -0.07 0.00 0.00 1.01 0.00 0.00 57.45 58.39 1kld n PHE 8 Cb 0.62 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.09 1kld n PHE 8 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1kld n SER 9 N -0.19 2.92 -2.65 4.37 3.41 -1.22 -5.05 113.62 115.21 1kld n SER 9 Ca 0.04 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.57 1kld n SER 9 Cb 0.09 0.22 -0.01 0.00 -0.26 0.00 0.00 64.21 64.25 1kld n SER 9 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1kld n SER 10 N -1.62 2.22 0.00 4.04 2.88 -1.14 -5.13 113.62 114.87 1kld n SER 10 Ca 0.00 -1.53 0.00 0.00 -1.33 0.00 0.00 58.87 56.01 1kld n SER 10 Cb 0.31 0.07 0.00 0.00 -0.75 0.00 0.00 64.21 63.84 1kld n SER 10 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1kld n THR 11 N -0.38 0.00 -0.19 2.46 5.66 -1.26 -4.78 114.28 115.79 1kld n THR 11 Ca -0.04 0.00 0.01 0.00 -3.05 0.00 0.00 64.05 60.96 1kld n THR 11 Cb 0.16 -0.23 -0.01 0.00 -1.55 0.00 0.00 70.33 68.70 1kld n THR 11 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1kld n GLU 12 N 0.00 -0.48 0.00 1.09 0.00 -1.26 -4.88 120.64 115.11 1kld n GLU 12 Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 57.16 57.54 1kld n GLU 12 Cb 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 31.44 30.94 1kld n GLU 12 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1kld n LYS 13 N -1.93 0.99 -0.12 5.31 5.02 -1.26 -4.93 118.16 121.24 1kld n LYS 13 Ca -0.01 -0.40 0.00 0.00 -2.02 0.00 0.00 58.31 55.88 1kld n LYS 13 Cb 0.07 -0.89 0.00 0.00 -0.02 0.00 0.00 35.03 34.19 1kld n LYS 13 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1kld n ASN 14 N -0.22 0.00 -4.52 4.39 5.03 -1.26 -4.04 115.26 114.63 1kld n ASN 14 Ca 0.00 -0.82 -0.16 0.00 0.87 0.00 0.00 54.58 54.47 1kld n ASN 14 Cb 0.01 0.00 -0.13 0.00 -1.02 0.00 0.00 39.78 38.64 1kld n ASN 14 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1kld s VAL 17 N 0.18 4.66 0.25 0.00 0.11 -1.26 -2.36 120.40 121.99 1kld s VAL 17 Ca -0.06 1.12 0.03 0.00 -2.93 0.00 0.00 61.98 60.14 1kld s VAL 17 Cb -0.12 -4.27 -0.03 0.00 -1.53 0.00 0.00 36.38 30.43 1kld s VAL 17 CO 0.02 -0.46 0.40 -0.13 -3.33 0.00 0.00 175.10 171.60 1kld s ARG 18 N 3.28 3.46 0.51 1.54 0.52 0.48 -4.53 118.95 124.21 1kld s ARG 18 Ca 0.35 -0.58 -0.23 0.00 -0.52 0.00 0.00 55.73 54.76 1kld s ARG 18 Cb -0.13 -2.84 -0.06 0.00 0.52 0.00 0.00 34.95 32.45 1kld s ARG 18 CO 0.17 0.37 1.40 0.00 0.02 0.00 0.00 175.30 177.25 1kld n GLN 19 N -1.29 1.91 -2.69 3.54 -0.00 -1.26 -2.87 117.38 114.72 1kld n GLN 19 Ca -0.07 0.69 -0.06 0.00 -0.00 0.00 0.00 57.00 57.57 1kld n GLN 19 Cb 0.56 -2.61 0.11 0.00 -0.00 0.00 0.00 30.24 28.31 1kld n GLN 19 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 1kld n LEU 20 N -0.72 -1.48 -4.54 2.61 7.94 -1.26 -4.80 117.00 114.74 1kld n LEU 20 Ca 0.08 -3.41 -0.51 0.00 -1.11 0.00 0.00 56.01 51.06 1kld n LEU 20 Cb 0.43 0.08 -0.05 0.00 0.53 0.00 0.00 43.42 44.41 1kld n LEU 20 CO 0.56 1.81 0.63 0.00 -1.11 0.00 0.00 177.39 179.27 1kld n TYR 21 N -0.80 0.98 -4.07 1.96 4.19 -1.26 -3.70 117.16 114.46 1kld n TYR 21 Ca -0.06 0.79 -0.32 0.00 3.31 0.00 0.00 57.90 61.63 1kld n TYR 21 Cb 0.85 -2.21 -0.16 0.00 0.49 0.00 0.00 39.34 38.32 1kld n TYR 21 CO 0.00 0.00 0.00 0.42 0.91 0.00 0.00 176.86 178.19 1kld s ILE 22 N -0.14 1.86 -0.68 2.97 1.01 -0.59 -4.88 121.20 120.75 1kld s ILE 22 Ca 0.78 -0.92 -0.25 0.00 0.00 0.00 0.00 60.65 60.26 1kld s ILE 22 Cb -0.97 -1.76 0.05 0.00 0.01 0.00 0.00 42.46 39.79 1kld s ILE 22 CO 0.53 0.41 1.11 -0.62 0.00 0.00 0.00 174.94 176.37 1kld s ASP 23 N 1.35 6.19 0.00 3.58 2.15 -1.26 -2.28 116.67 126.40 1kld s ASP 23 Ca 0.03 -0.67 0.00 0.00 0.43 0.00 0.00 52.55 52.34 1kld s ASP 23 Cb -0.14 -2.49 0.00 0.00 -0.30 0.00 0.00 42.92 39.99 1kld s ASP 23 CO -0.11 -1.61 0.00 0.49 -0.17 0.00 0.00 175.17 173.78 1kld n PHE 24 N 8.46 0.00 -0.01 -5.34 3.72 -1.00 0.16 117.46 123.44 1kld n PHE 24 Ca -0.00 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.25 1kld n PHE 24 Cb 0.47 -0.35 -0.14 0.00 -0.94 0.00 0.00 39.48 38.52 1kld n PHE 24 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1kld n ARG 25 N -2.79 0.69 0.01 -1.08 1.74 -1.26 0.29 116.66 114.26 1kld n ARG 25 Ca 0.00 0.27 -0.12 0.00 -0.77 0.00 0.00 57.85 57.23 1kld n ARG 25 Cb 0.00 -1.74 -0.07 0.00 -1.02 0.00 0.00 32.46 29.63 1kld n ARG 25 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 1kld h LYS 26 N 0.03 0.08 0.00 5.56 3.64 0.11 -0.60 116.57 125.40 1kld h LYS 26 Ca -0.36 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 58.90 1kld h LYS 26 Cb 2.03 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.82 1kld h LYS 26 CO 0.08 0.16 -0.95 -0.25 -2.27 0.00 0.00 179.45 176.22 1kld n ASP 27 N -4.99 1.85 0.09 4.20 8.00 -0.51 -4.51 116.55 120.67 1kld n ASP 27 Ca -0.06 0.51 0.12 0.00 0.71 0.00 0.00 54.79 56.07 1kld n ASP 27 Cb 0.08 -0.88 0.12 0.00 -0.02 0.00 0.00 41.12 40.42 1kld n ASP 27 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1kld h LEU 28 N -1.00 0.00 0.22 0.64 3.38 -1.63 -3.47 115.31 113.45 1kld h LEU 28 Ca -0.16 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 57.59 1kld h LEU 28 Cb 0.88 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.60 1kld h LEU 28 CO -0.09 0.07 -0.09 0.61 0.09 0.00 0.00 178.44 179.03 1kld n GLY 29 N 1.27 0.51 3.69 0.83 0.00 0.15 -4.85 105.19 106.79 1kld n GLY 29 Ca 0.02 -0.04 -0.58 0.00 0.00 0.00 0.00 46.02 45.42 1kld n GLY 29 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1kld n TRP 30 N -2.24 1.87 0.80 1.61 7.02 -0.04 -4.76 117.44 121.70 1kld n TRP 30 Ca -0.05 0.66 0.09 0.00 -1.02 0.00 0.00 57.50 57.18 1kld n TRP 30 Cb 0.46 -2.39 -0.11 0.00 -2.42 0.00 0.00 31.31 26.85 1kld n TRP 30 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1kld n LYS 31 N 4.56 0.69 -0.10 -0.99 4.01 -1.26 -4.19 118.16 120.88 1kld n LYS 31 Ca 0.25 -0.02 0.05 0.00 -0.51 0.00 0.00 58.31 58.09 1kld n LYS 31 Cb 0.11 -1.41 0.19 0.00 -0.51 0.00 0.00 35.03 33.42 1kld n LYS 31 CO 0.00 0.00 0.00 -2.67 -1.11 0.00 0.00 177.40 173.62 1kld n TRP 32 N -1.53 0.27 -3.87 2.13 4.27 -1.26 -4.73 117.44 112.72 1kld n TRP 32 Ca 0.03 -0.13 -0.21 0.00 -3.89 0.00 0.00 57.50 53.29 1kld n TRP 32 Cb 0.32 0.00 -0.17 0.00 -1.36 0.00 0.00 31.31 30.10 1kld n TRP 32 CO 0.00 0.00 0.00 0.42 -2.29 0.00 0.00 177.69 175.82 1kld s ILE 33 N -1.73 0.35 -0.22 -1.67 1.01 -1.26 -4.49 121.20 113.19 1kld s ILE 33 Ca 0.20 0.08 0.12 0.00 0.00 0.00 0.00 60.65 61.06 1kld s ILE 33 Cb 0.10 -0.47 -0.22 0.00 0.01 0.00 0.00 42.46 41.88 1kld s ILE 33 CO 0.14 0.23 -0.03 0.00 0.00 0.00 0.00 174.94 175.28 1kld n HIS 34 N 4.76 0.00 -4.08 3.97 1.44 -0.38 -4.92 115.22 116.01 1kld n HIS 34 Ca -0.14 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.44 1kld n HIS 34 Cb 0.50 -0.99 -0.12 0.00 0.12 0.00 0.00 29.99 29.51 1kld n HIS 34 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 1kld s GLU 35 N -2.50 0.55 1.02 -1.40 0.41 -0.62 -4.32 118.70 111.84 1kld s GLU 35 Ca -0.18 -0.76 -0.17 0.00 -0.41 0.00 0.00 54.97 53.44 1kld s GLU 35 Cb 0.07 -0.35 0.23 0.00 -1.78 0.00 0.00 34.13 32.31 1kld s GLU 35 CO 0.74 0.06 1.33 -1.25 -0.49 0.00 0.00 175.26 175.65 1kld s PRO 36 N -1.56 0.20 0.39 0.39 0.04 -1.26 0.75 135.00 133.94 1kld s PRO 36 Ca -0.09 -0.48 0.11 0.00 0.04 0.00 0.00 61.00 60.59 1kld s PRO 36 Cb -0.10 -1.80 0.90 0.00 0.04 0.00 0.00 34.50 33.54 1kld s PRO 36 CO 0.01 -2.70 1.90 0.87 0.04 0.00 0.00 177.00 177.12 1kld h LYS 37 N -1.85 0.57 0.00 4.56 1.57 -1.98 -3.45 116.57 115.99 1kld h LYS 37 Ca -0.44 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1kld h LYS 37 Cb 1.22 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.40 1kld h LYS 37 CO 0.32 0.38 0.00 0.41 -0.57 0.00 0.00 179.45 179.99 1kld n GLY 38 N -1.47 1.26 3.82 3.86 0.00 -1.26 -2.39 105.19 109.01 1kld n GLY 38 Ca 0.15 -0.75 -0.08 0.00 0.00 0.00 0.00 46.02 45.35 1kld n GLY 38 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1kld s TYR 39 N -3.26 0.14 -1.13 1.61 1.13 -0.96 -4.87 117.35 109.99 1kld s TYR 39 Ca 0.00 -0.78 -0.11 0.00 -1.41 0.00 0.00 57.07 54.77 1kld s TYR 39 Cb 0.00 0.83 0.24 0.00 -1.10 0.00 0.00 41.96 41.93 1kld s TYR 39 CO 0.00 -1.47 1.20 -1.01 -2.51 0.00 0.00 175.55 171.76 1kld s HIS 40 N -2.14 4.03 0.46 -3.49 3.76 -1.26 -1.54 115.29 115.11 1kld s HIS 40 Ca 0.17 -2.50 0.29 0.00 -0.15 0.00 0.00 55.06 52.87 1kld s HIS 40 Cb -0.05 -3.98 1.59 0.00 1.11 0.00 0.00 32.58 31.26 1kld s HIS 40 CO 0.11 -1.09 2.13 0.00 -0.85 0.00 0.00 174.74 175.04 1kld h ALA 41 N 6.85 1.31 -2.26 -1.40 0.00 -1.87 -3.40 119.26 118.50 1kld h ALA 41 Ca 0.22 -0.07 0.26 0.00 0.00 0.00 0.00 54.91 55.31 1kld h ALA 41 Cb 0.88 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.58 1kld h ALA 41 CO 1.08 0.10 -0.42 0.09 0.00 0.00 0.00 179.25 180.10 1kld n ASN 42 N -3.63 -5.69 0.00 0.00 3.02 -1.24 -3.25 115.26 104.47 1kld n ASN 42 Ca -0.02 0.47 0.00 0.00 -0.03 0.00 0.00 54.58 55.00 1kld n ASN 42 Cb 0.19 -3.22 0.00 0.00 -0.61 0.00 0.00 39.78 36.14 1kld n ASN 42 CO 0.00 0.00 0.00 2.22 -2.62 0.00 0.00 177.26 176.86 1kld n PHE 43 N -3.13 0.00 -3.94 3.10 -1.74 -1.14 -4.72 117.46 105.90 1kld n PHE 43 Ca -0.00 0.00 -0.08 0.00 -0.56 0.00 0.00 57.45 56.80 1kld n PHE 43 Cb 0.61 0.00 -0.08 0.00 1.52 0.00 0.00 39.48 41.53 1kld n PHE 43 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1kld n LEU 45 N 0.03 0.00 -1.66 0.00 4.77 -0.99 -4.91 117.00 114.24 1kld n LEU 45 Ca -0.15 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 1kld n LEU 45 Cb 0.62 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.71 1kld n LEU 45 CO 0.24 0.00 -0.49 0.61 -1.33 0.00 0.00 177.39 176.42 1kld n GLY 46 N 0.00 -4.33 2.19 -0.72 0.00 -1.26 -3.00 105.19 98.07 1kld n GLY 46 Ca 0.00 -0.75 -0.17 0.00 0.00 0.00 0.00 46.02 45.10 1kld n GLY 46 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1kld n PRO 47 N -1.95 -0.76 -3.88 1.61 -0.04 -1.26 -3.29 135.00 125.43 1kld n PRO 47 Ca 0.00 -1.16 -0.09 0.00 -0.04 0.00 0.00 63.50 62.20 1kld n PRO 47 Cb 0.30 -0.78 -0.08 0.00 -0.04 0.00 0.00 33.50 32.90 1kld n PRO 47 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1kld n PRO 49 N 0.36 3.19 0.00 0.00 -0.04 -1.26 -4.58 135.00 132.67 1kld n PRO 49 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 1kld n PRO 49 Cb 0.60 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.06 1kld n PRO 49 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1kld n TYR 50 N 0.00 0.00 -0.55 0.54 4.11 -1.26 -4.51 117.16 115.49 1kld n TYR 50 Ca 0.00 0.00 0.42 0.00 -0.00 0.00 0.00 57.90 58.32 1kld n TYR 50 Cb 0.00 0.00 0.64 0.00 -0.00 0.00 0.00 39.34 39.98 1kld n TYR 50 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.86 177.30 1kld n ILE 51 N -0.39 0.00 -1.53 -3.48 -5.35 -1.26 -4.06 119.36 103.29 1kld n ILE 51 Ca 0.00 1.19 -0.14 0.00 -0.27 0.00 0.00 62.75 63.53 1kld n ILE 51 Cb 0.00 -1.99 -0.10 0.00 -1.74 0.00 0.00 39.64 35.80 1kld n ILE 51 CO 0.00 0.00 0.00 1.87 -1.76 0.00 0.00 176.55 176.66 1kld n TRP 52 N -3.50 0.89 -2.89 4.28 -0.00 -1.26 -4.13 117.44 110.83 1kld n TRP 52 Ca 0.35 -0.03 0.00 0.00 -0.00 0.00 0.00 57.50 57.82 1kld n TRP 52 Cb 1.61 -2.17 0.00 0.00 -0.00 0.00 0.00 31.31 30.75 1kld n TRP 52 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 177.69 178.12 1kld n SER 53 N 16.10 -6.63 -4.59 5.87 7.64 -1.26 -4.61 113.62 126.14 1kld n SER 53 Ca 0.49 0.67 -0.34 0.00 1.01 0.00 0.00 58.87 60.70 1kld n SER 53 Cb 0.38 -1.43 -0.11 0.00 -1.01 0.00 0.00 64.21 62.05 1kld n SER 53 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1kld s LEU 54 N -0.37 3.62 0.00 -3.43 1.43 -1.26 -2.56 118.68 116.11 1kld s LEU 54 Ca 0.00 0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.11 1kld s LEU 54 Cb 0.00 -1.90 0.00 0.00 0.03 0.00 0.00 46.19 44.32 1kld s LEU 54 CO 0.00 0.17 0.00 -0.67 0.23 0.00 0.00 176.35 176.08 1kld n ASP 55 N 3.53 0.00 -4.97 2.29 2.03 -0.99 -4.88 116.55 113.56 1kld n ASP 55 Ca -0.17 0.15 -0.21 0.00 0.52 0.00 0.00 54.79 55.08 1kld n ASP 55 Cb 0.52 -0.48 0.02 0.00 -0.72 0.00 0.00 41.12 40.47 1kld n ASP 55 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1kld s THR 56 N -0.96 3.16 0.28 5.18 -4.23 -1.26 -4.97 115.64 112.83 1kld s THR 56 Ca 0.00 -0.70 0.01 0.00 -1.18 0.00 0.00 61.69 59.82 1kld s THR 56 Cb 0.00 -3.15 0.09 0.00 1.34 0.00 0.00 72.50 70.78 1kld s THR 56 CO 0.00 -0.10 1.75 -0.61 -0.54 0.00 0.00 174.62 175.12 1kld h GLN 57 N 0.30 0.62 0.00 3.99 4.15 -1.98 -1.15 115.11 121.04 1kld h GLN 57 Ca -0.43 -0.19 0.00 0.00 0.77 0.00 0.00 58.65 58.80 1kld h GLN 57 Cb 1.28 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.91 1kld h GLN 57 CO 0.52 0.73 0.00 0.98 -1.93 0.00 0.00 178.83 179.13 1kld n TYR 58 N -4.18 0.48 0.17 3.99 9.36 -1.26 -1.45 117.16 124.27 1kld n TYR 58 Ca 0.01 0.22 0.03 0.00 3.32 0.00 0.00 57.90 61.47 1kld n TYR 58 Cb 0.35 -0.85 0.26 0.00 -0.63 0.00 0.00 39.34 38.47 1kld n TYR 58 CO 0.00 0.00 0.00 0.77 0.22 0.00 0.00 176.86 177.85 1kld h SER 59 N 0.00 0.00 0.38 2.98 0.02 -1.53 -1.83 113.55 113.57 1kld h SER 59 Ca 0.00 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.63 1kld h SER 59 Cb 0.16 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.67 1kld h SER 59 CO 0.00 0.48 -1.74 0.11 -1.14 0.00 0.00 176.83 174.53 1kld h LYS 60 N 0.00 0.14 -0.16 3.45 1.57 -1.36 -2.55 116.57 117.65 1kld h LYS 60 Ca -0.00 -0.24 -0.05 0.00 -1.87 0.00 0.00 60.65 58.49 1kld h LYS 60 Cb 0.99 0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.39 1kld h LYS 60 CO 0.06 0.87 -0.09 0.28 -0.57 0.00 0.00 179.45 180.01 1kld h VAL 61 N 0.04 1.32 -0.05 0.50 2.07 -1.48 -2.88 116.25 115.76 1kld h VAL 61 Ca -0.31 -1.14 -0.18 0.00 0.82 0.00 0.00 66.70 65.88 1kld h VAL 61 Cb 2.01 1.73 0.01 0.00 -1.52 0.00 0.00 31.29 33.53 1kld h VAL 61 CO 0.10 0.34 -0.67 0.25 0.02 0.00 0.00 177.57 177.61 1kld h LEU 62 N 0.01 0.68 -0.79 2.57 5.85 -1.49 -1.64 115.31 120.49 1kld h LEU 62 Ca 0.03 -0.70 0.19 0.00 0.84 0.00 0.00 57.88 58.24 1kld h LEU 62 Cb 0.57 -0.20 -0.12 0.00 0.37 0.00 0.00 40.66 41.27 1kld h LEU 62 CO 0.03 1.29 0.20 0.00 -0.34 0.00 0.00 178.44 179.61 1kld h ALA 63 N 0.41 1.07 -0.07 1.25 0.00 -1.50 0.27 119.26 120.69 1kld h ALA 63 Ca -0.07 0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 1kld h ALA 63 Cb 1.34 0.27 0.01 0.00 0.00 0.00 0.00 17.79 19.41 1kld h ALA 63 CO 0.14 -0.38 -0.38 -0.07 0.00 0.00 0.00 179.25 178.55 1kld h LEU 64 N 0.25 0.45 -1.74 0.00 3.38 -1.52 -1.86 115.31 114.27 1kld h LEU 64 Ca 0.47 -0.66 0.51 0.00 0.09 0.00 0.00 57.88 58.28 1kld h LEU 64 Cb 0.85 -0.13 -0.10 0.00 0.09 0.00 0.00 40.66 41.37 1kld h LEU 64 CO -0.57 1.04 1.15 0.22 0.09 0.00 0.00 178.44 180.37 1kld h TYR 65 N -0.11 0.22 0.01 1.13 5.03 0.04 0.18 116.97 123.48 1kld h TYR 65 Ca -0.03 0.01 -0.32 0.00 2.58 0.00 0.00 58.73 60.97 1kld h TYR 65 Cb 1.04 -0.05 -0.04 0.00 1.55 0.00 0.00 36.73 39.23 1kld h TYR 65 CO 0.13 -0.11 -1.74 -1.71 -1.32 0.00 0.00 178.16 173.41 1kld n ASN 66 N -4.29 1.91 0.15 -2.11 5.15 -0.78 -3.95 115.26 111.35 1kld n ASN 66 Ca 0.41 0.36 0.07 0.00 -0.60 0.00 0.00 54.58 54.82 1kld n ASN 66 Cb 1.75 -0.90 0.37 0.00 -0.53 0.00 0.00 39.78 40.47 1kld n ASN 66 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1kld n GLN 67 N -4.27 0.09 0.02 1.20 3.00 0.20 -0.80 117.38 116.82 1kld n GLN 67 Ca -0.39 0.56 -0.22 0.00 -0.01 0.00 0.00 57.00 56.94 1kld n GLN 67 Cb 0.78 -2.03 -0.14 0.00 0.00 0.00 0.00 30.24 28.85 1kld n GLN 67 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1kld h HIS 68 N 0.00 0.51 -3.37 1.08 3.86 -0.91 -3.45 115.15 112.87 1kld h HIS 68 Ca 0.00 -0.37 -0.65 0.00 -1.16 0.00 0.00 60.37 58.19 1kld h HIS 68 Cb 0.46 -0.02 -0.25 0.00 1.06 0.00 0.00 27.41 28.66 1kld h HIS 68 CO 0.00 1.65 -0.71 -0.80 0.86 0.00 0.00 177.93 178.93 1kld s ASN 69 N -7.10 4.47 0.02 2.45 0.01 0.02 -5.08 114.94 109.72 1kld s ASN 69 Ca -0.20 -0.28 -0.30 0.00 -0.71 0.00 0.00 52.86 51.37 1kld s ASN 69 Cb 0.05 -1.74 -0.04 0.00 0.41 0.00 0.00 41.25 39.93 1kld s ASN 69 CO 0.78 0.08 1.04 -2.16 -1.51 0.00 0.00 177.10 175.33 1kld s PRO 70 N 0.88 4.53 0.00 -0.60 0.04 -1.26 -3.16 135.00 135.43 1kld s PRO 70 Ca -0.01 1.51 0.00 0.00 0.04 0.00 0.00 61.00 62.54 1kld s PRO 70 Cb -0.15 -3.43 0.00 0.00 0.04 0.00 0.00 34.50 30.97 1kld s PRO 70 CO 0.01 -0.10 0.00 0.41 0.04 0.00 0.00 177.00 177.37 1kld n GLY 71 N 2.96 0.64 3.67 0.56 0.00 -1.26 -5.02 105.19 106.73 1kld n GLY 71 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 1kld n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kld s ALA 72 N -2.39 3.63 -0.36 4.61 0.00 -1.19 -4.89 121.76 121.18 1kld s ALA 72 Ca 0.00 0.57 -0.03 0.00 0.00 0.00 0.00 51.96 52.49 1kld s ALA 72 Cb 0.00 -3.62 0.06 0.00 0.00 0.00 0.00 23.12 19.56 1kld s ALA 72 CO 0.00 -1.14 2.66 0.43 0.00 0.00 0.00 175.76 177.71 1kld n SER 73 N 6.43 6.31 -2.54 0.00 7.64 -1.26 -4.38 113.62 125.82 1kld n SER 73 Ca 0.14 -3.07 -0.15 0.00 1.01 0.00 0.00 58.87 56.80 1kld n SER 73 Cb 0.45 -1.21 0.02 0.00 -1.01 0.00 0.00 64.21 62.46 1kld n SER 73 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1kld n ALA 74 N 0.93 4.03 -1.99 -0.43 0.00 -1.26 -5.08 120.51 116.71 1kld n ALA 74 Ca 0.42 -3.54 -0.25 0.00 0.00 0.00 0.00 53.44 50.08 1kld n ALA 74 Cb 0.60 -0.72 0.13 0.00 0.00 0.00 0.00 19.45 19.47 1kld n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kld s ALA 75 N -3.43 3.51 1.00 0.00 0.00 -1.26 -4.52 121.76 117.06 1kld s ALA 75 Ca 0.37 -1.78 0.00 0.00 0.00 0.00 0.00 51.96 50.55 1kld s ALA 75 Cb 0.41 -2.06 0.00 0.00 0.00 0.00 0.00 23.12 21.47 1kld s ALA 75 CO -0.05 -1.71 0.00 -0.35 0.00 0.00 0.00 175.76 173.65 1kld n PRO 76 N -3.03 0.85 -3.48 0.00 -0.04 -1.26 -4.99 135.00 123.05 1kld n PRO 76 Ca 0.17 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.39 1kld n PRO 76 Cb 0.61 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.94 1kld n PRO 76 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1kld n VAL 79 N -0.34 0.00 -2.90 0.00 0.24 -1.18 -4.78 118.33 109.37 1kld n VAL 79 Ca 0.11 -1.45 -0.38 0.00 -2.04 0.00 0.00 64.34 60.58 1kld n VAL 79 Cb 0.35 0.83 -0.06 0.00 -1.47 0.00 0.00 33.84 33.49 1kld n VAL 79 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1kld s PRO 80 N -2.71 4.57 0.00 7.34 0.04 -1.26 -0.77 135.00 142.20 1kld s PRO 80 Ca 0.24 1.21 0.00 0.00 0.04 0.00 0.00 61.00 62.49 1kld s PRO 80 Cb -0.00 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.49 1kld s PRO 80 CO 0.17 0.44 0.00 0.94 0.04 0.00 0.00 177.00 178.59 1kld n GLN 81 N 1.09 0.00 -2.45 4.56 7.27 0.11 -4.67 117.38 123.28 1kld n GLN 81 Ca -0.02 0.00 -0.39 0.00 0.07 0.00 0.00 57.00 56.66 1kld n GLN 81 Cb 0.49 0.00 -0.02 0.00 2.41 0.00 0.00 30.24 33.12 1kld n GLN 81 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1kld s ALA 82 N -2.00 2.82 1.00 1.69 0.00 -0.94 -4.94 121.76 119.40 1kld s ALA 82 Ca 0.00 -2.56 0.00 0.00 0.00 0.00 0.00 51.96 49.40 1kld s ALA 82 Cb 0.00 -4.62 0.00 0.00 0.00 0.00 0.00 23.12 18.50 1kld s ALA 82 CO 0.00 -3.80 0.00 1.28 0.00 0.00 0.00 175.76 173.24 1kld n LEU 83 N 9.91 0.00 -3.70 0.00 4.77 -1.26 -0.67 117.00 126.06 1kld n LEU 83 Ca 0.44 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 56.33 1kld n LEU 83 Cb 0.47 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.52 1kld n LEU 83 CO 0.72 -0.51 0.27 -1.61 -1.33 0.00 0.00 177.39 174.93 1kld s GLU 84 N -1.46 1.33 0.00 3.23 2.02 -0.77 -4.56 118.70 118.49 1kld s GLU 84 Ca 0.00 -0.81 0.00 0.00 0.02 0.00 0.00 54.97 54.18 1kld s GLU 84 Cb 0.00 0.52 0.00 0.00 0.10 0.00 0.00 34.13 34.75 1kld s GLU 84 CO 0.00 -0.56 0.00 -0.35 0.02 0.00 0.00 175.26 174.37 1kld n PRO 85 N -0.33 0.12 -3.15 0.39 -0.04 -1.26 0.91 135.00 131.64 1kld n PRO 85 Ca -0.11 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.39 1kld n PRO 85 Cb 0.63 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 34.08 1kld n PRO 85 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1kld s LEU 86 N 0.00 -1.15 -0.53 1.53 2.96 0.18 -4.27 118.68 117.40 1kld s LEU 86 Ca 0.00 0.33 -0.28 0.00 -0.22 0.00 0.00 54.13 53.97 1kld s LEU 86 Cb 0.00 1.81 -0.00 0.00 0.50 0.00 0.00 46.19 48.50 1kld s LEU 86 CO 0.00 -0.21 1.60 -2.16 -1.32 0.00 0.00 176.35 174.26 1kld s PRO 87 N 2.88 3.13 0.00 0.98 0.04 -1.26 0.26 135.00 141.03 1kld s PRO 87 Ca 0.15 0.66 0.00 0.00 0.04 0.00 0.00 61.00 61.85 1kld s PRO 87 Cb -0.09 -4.21 0.00 0.00 0.04 0.00 0.00 34.50 30.24 1kld s PRO 87 CO -0.22 -2.14 0.00 0.44 0.04 0.00 0.00 177.00 175.12 1kld n ILE 88 N 7.05 0.00 -3.33 0.56 -5.35 -0.85 -4.43 119.36 113.01 1kld n ILE 88 Ca 0.16 0.00 0.02 0.00 -0.27 0.00 0.00 62.75 62.67 1kld n ILE 88 Cb 0.50 -0.24 -0.03 0.00 -1.74 0.00 0.00 39.64 38.13 1kld n ILE 88 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1kld s VAL 89 N 1.25 -0.75 0.15 7.28 1.01 0.23 -2.59 120.40 126.97 1kld s VAL 89 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 61.98 61.99 1kld s VAL 89 Cb 0.00 -1.00 -0.00 0.00 0.00 0.00 0.00 36.38 35.38 1kld s VAL 89 CO 0.00 0.00 0.03 0.00 0.00 0.00 0.00 175.10 175.13 1kld n TYR 90 N 5.33 0.19 -4.84 5.22 4.11 -1.01 -1.25 117.16 124.91 1kld n TYR 90 Ca -0.07 -0.83 -0.25 0.00 -0.00 0.00 0.00 57.90 56.75 1kld n TYR 90 Cb 0.51 -0.05 -0.15 0.00 -0.00 0.00 0.00 39.34 39.65 1kld n TYR 90 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.86 177.57 1kld s TYR 91 N -1.84 1.59 -0.49 -3.48 2.02 -1.26 -1.67 117.35 112.22 1kld s TYR 91 Ca 0.04 -0.32 0.02 0.00 -0.37 0.00 0.00 57.07 56.44 1kld s TYR 91 Cb 0.00 -1.03 0.13 0.00 -0.40 0.00 0.00 41.96 40.66 1kld s TYR 91 CO 0.03 -0.05 0.24 0.08 -1.57 0.00 0.00 175.55 174.28 1kld s VAL 92 N -0.35 2.78 0.00 0.71 1.01 -0.66 -4.91 120.40 118.98 1kld s VAL 92 Ca 0.05 -2.94 0.00 0.00 0.00 0.00 0.00 61.98 59.10 1kld s VAL 92 Cb -0.07 -2.92 0.00 0.00 0.00 0.00 0.00 36.38 33.38 1kld s VAL 92 CO -0.00 -0.76 0.00 0.61 0.00 0.00 0.00 175.10 174.95 1kld n GLY 93 N 3.55 1.95 0.00 4.51 0.00 -1.26 -2.65 105.19 111.29 1kld n GLY 93 Ca 0.05 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1kld n GLY 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kld n ARG 94 N 0.00 0.00 -3.87 1.61 1.74 -1.26 -5.07 116.66 109.81 1kld n ARG 94 Ca 0.00 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.73 1kld n ARG 94 Cb 0.00 -0.27 -0.10 0.00 -1.02 0.00 0.00 32.46 31.07 1kld n ARG 94 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1kld s LYS 95 N 0.00 3.96 0.33 5.56 2.20 -1.08 -5.08 119.74 125.63 1kld s LYS 95 Ca 0.00 -0.34 -0.27 0.00 -0.36 0.00 0.00 55.97 55.01 1kld s LYS 95 Cb 0.00 -3.32 -0.09 0.00 -1.51 0.00 0.00 37.83 32.90 1kld s LYS 95 CO 0.00 0.15 1.00 -1.25 -0.36 0.00 0.00 175.35 174.89 1kld s PRO 96 N 0.72 4.51 -0.12 4.03 0.04 -1.26 -1.65 135.00 141.26 1kld s PRO 96 Ca 0.05 1.48 -0.04 0.00 0.04 0.00 0.00 61.00 62.53 1kld s PRO 96 Cb -0.13 -2.85 0.06 0.00 0.04 0.00 0.00 34.50 31.61 1kld s PRO 96 CO 0.02 0.18 0.13 0.15 0.04 0.00 0.00 177.00 177.52 1kld s LYS 97 N -1.97 0.05 -0.04 4.56 -0.14 -0.67 -4.95 119.74 116.57 1kld s LYS 97 Ca 0.50 0.28 -0.24 0.00 -1.36 0.00 0.00 55.97 55.15 1kld s LYS 97 Cb -0.23 -0.93 -0.04 0.00 -1.68 0.00 0.00 37.83 34.95 1kld s LYS 97 CO 0.29 -0.48 0.73 0.08 -0.76 0.00 0.00 175.35 175.20 1kld s VAL 98 N 2.23 4.99 0.00 3.17 1.01 -1.26 -2.41 120.40 128.13 1kld s VAL 98 Ca 0.04 1.51 0.00 0.00 0.00 0.00 0.00 61.98 63.53 1kld s VAL 98 Cb -0.14 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 32.17 1kld s VAL 98 CO -0.07 0.27 0.00 1.21 0.00 0.00 0.00 175.10 176.50 1kld n GLU 99 N 3.62 2.49 -3.02 2.72 2.13 -1.07 -4.94 120.64 122.57 1kld n GLU 99 Ca -0.01 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.68 1kld n GLU 99 Cb 0.51 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.19 1kld n GLU 99 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1kld n GLN 100 N 0.00 0.39 -1.38 5.31 6.02 -1.24 -2.01 117.38 124.48 1kld n GLN 100 Ca 0.00 -2.50 -0.41 0.00 -0.01 0.00 0.00 57.00 54.09 1kld n GLN 100 Cb 0.00 -1.55 0.01 0.00 1.02 0.00 0.00 30.24 29.72 1kld n GLN 100 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1kld n LEU 101 N 2.90 -1.31 -4.78 1.08 4.77 0.14 -4.15 117.00 115.65 1kld n LEU 101 Ca 0.23 0.81 -0.36 0.00 -0.03 0.00 0.00 56.01 56.66 1kld n LEU 101 Cb 0.53 -1.01 -0.07 0.00 -2.33 0.00 0.00 43.42 40.53 1kld n LEU 101 CO 0.02 -3.61 -0.19 -0.44 -1.33 0.00 0.00 177.39 171.84 1kld s SER 102 N -1.01 6.19 -1.72 -1.43 0.01 -1.26 0.52 113.70 115.00 1kld s SER 102 Ca 0.62 0.31 0.00 0.00 1.31 0.00 0.00 55.95 58.19 1kld s SER 102 Cb -0.57 -2.05 0.00 0.00 0.21 0.00 0.00 66.02 63.61 1kld s SER 102 CO 0.60 0.28 0.00 0.59 0.41 0.00 0.00 173.24 175.12 1kld n ASN 103 N 2.87 -5.65 -1.65 2.44 3.02 -0.47 -4.84 115.26 110.98 1kld n ASN 103 Ca -0.18 0.01 -0.05 0.00 -0.03 0.00 0.00 54.58 54.33 1kld n ASN 103 Cb 0.53 -4.69 0.21 0.00 -0.61 0.00 0.00 39.78 35.22 1kld n ASN 103 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 1kld n MET 104 N -2.87 2.84 -3.86 3.52 1.56 0.26 -4.62 117.12 113.95 1kld n MET 104 Ca -0.23 -2.14 -0.09 0.00 -0.27 0.00 0.00 57.70 54.97 1kld n MET 104 Cb 0.68 -1.93 -0.05 0.00 2.15 0.00 0.00 33.22 34.07 1kld n MET 104 CO 0.00 0.00 0.00 0.42 -0.73 0.00 0.00 175.97 175.66 1kld s ILE 105 N -2.25 0.02 -0.05 1.12 1.01 -0.71 -4.79 121.20 115.55 1kld s ILE 105 Ca 0.39 -1.09 0.05 0.00 0.00 0.00 0.00 60.65 60.00 1kld s ILE 105 Cb 0.31 -1.84 -0.02 0.00 0.01 0.00 0.00 42.46 40.92 1kld s ILE 105 CO 0.09 -0.11 -0.21 -0.69 0.00 0.00 0.00 174.94 174.02 1kld s VAL 106 N -3.94 2.41 0.00 2.92 1.01 -1.20 -1.86 120.40 119.75 1kld s VAL 106 Ca 0.15 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.17 1kld s VAL 106 Cb -0.00 -1.90 0.00 0.00 0.00 0.00 0.00 36.38 34.48 1kld s VAL 106 CO 0.02 0.58 0.00 -1.14 0.00 0.00 0.00 175.10 174.55 1kld n ARG 107 N 2.66 3.26 0.00 2.72 0.63 0.16 -4.87 116.66 121.22 1kld n ARG 107 Ca -0.17 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.76 1kld n ARG 107 Cb 0.52 -0.67 0.00 0.00 0.45 0.00 0.00 32.46 32.76 1kld n ARG 107 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1kld n SER 108 N -1.03 0.00 -4.96 6.15 7.64 -1.23 -3.90 113.62 116.29 1kld n SER 108 Ca 0.00 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.66 1kld n SER 108 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1kld n SER 108 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1kld n LYS 110 N -1.86 0.00 -3.27 0.00 2.85 0.05 -4.75 118.16 111.18 1kld n LYS 110 Ca -0.01 0.00 -0.05 0.00 -1.05 0.00 0.00 58.31 57.19 1kld n LYS 110 Cb 0.57 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.91 1kld n LYS 110 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35